3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine

C14H16ClN3 — CID 64545634

IUPAC3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
SMILESClc1ccccc1C1CC(NCc2ncc[nH]2)C1
InChIInChI=1S/C14H16ClN3/c15-13-4-2-1-3-12(13)10-7-11(8-10)18-9-14-16-5-6-17-14/h1-6,10-11,18H,7-9H2,(H,16,17)
InChIKeyXSZVSLXQYZTCHW-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.10
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine

3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine (PubChem CID 64545634) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
PubChem CID64545634
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
SMILESClc1ccccc1C1CC(NCc2ncc[nH]2)C1
InChIInChI=1S/C14H16ClN3/c15-13-4-2-1-3-12(13)10-7-11(8-10)18-9-14-16-5-6-17-14/h1-6,10-11,18H,7-9H2,(H,16,17)
InChIKeyXSZVSLXQYZTCHW-UHFFFAOYSA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine (CID 64545634) is 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine is Clc1ccccc1C1CC(NCc2ncc[nH]2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is XSZVSLXQYZTCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-13-4-2-1-3-12(13)10-7-11(8-10)18-9-14-16-5-6-17-14/h1-6,10-11,18H,7-9H2,(H,16,17).
What are the key properties of 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine?
3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 261.76 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 64545634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).